1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide

C11H14N4O3S2 — CID 43246483

IUPAC1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H14N4O3S2/c1-7(9-3-4-10(19-9)20(12,17)18)14-11(16)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16)(H2,12,17,18)
InChIKeyYWADYJIPPURZPA-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.62
Rot. Bonds4

About 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide

1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 43246483) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID43246483
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H14N4O3S2/c1-7(9-3-4-10(19-9)20(12,17)18)14-11(16)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16)(H2,12,17,18)
InChIKeyYWADYJIPPURZPA-UHFFFAOYSA-N
XLogP0.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 56781060
1-Methyl-3-(piperidine-1-sulfonyl)-N-[2-(thiophen-2-YL)ethyl]-1H-pyrazole-4-carboxamide
CID 53142863
1-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]-N-[2-(2-thienyl)ethyl]-1H-pyrazole-4-carboxamide
CID 53142899
1-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 40052522
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylpyrazole-4-carboxamide
CID 45810377
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45863233
N-cyclopentyl-1-isopropyl-N-[(5-methyl-2-thienyl)methyl]-1H-pyrazole-4-carboxamide
CID 70783309
N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 75398949
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 94819834
1-ethyl-N-[[(3R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 95228419

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide (CID 43246483) is 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is YWADYJIPPURZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-7(9-3-4-10(19-9)20(12,17)18)14-11(16)8-5-13-15(2)6-8/h3-7H,1-2H3,(H,14,16)(H2,12,17,18).
What are the key properties of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43246483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).